MersV1, Pmc, Checkpoint, bibRecord, 001367

{6,6′-Dimethoxy-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) 1.78-hydrate

Identifieur interne : 001367 ( Pmc/Checkpoint ); précédent : 001366; suivant : 001368

{6,6′-Dimethoxy-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) 1.78-hydrate

Auteurs : Chin Sing Yeap [Malaisie] ; Reza Kia [Malaisie] ; Hadi Kargar [Iran] ; Hoong-Kun Fun [Malaisie]

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2009.

RBID : PMC:2977614

Abstract

In the title complex, [Ni(C₂₁H₂₄N₂O₄)]·1.78H₂O, the Ni^II ion has a slightly distorted planar geometry, coordinated by the two N and two O atoms of the tetradentate Schiff base ligand, with a mean deviation of 0.272 Å from the NiN₂O₂ plane. The N and O donor atoms are mutually cis. The dihedral angle between two benzene rings of the ligand is 38.86 (8)°. There are also three solvent water molecules, two of which lie across different crystallographic twofold rotation axes; one of these is partially occupied with a refined occupancy factor of 0.570 (7). The water molecules are linked together as tetramers in R₂²(8) ring motifs, which also connect two neighbouring molecules of the complex through a network of O—H⋯O hydrogen bonds. The crystal structure is further stabilized by intermolecular C—H⋯O and C—H⋯π interactions, which link neighbouring molecules into extended chains along the b axis. Other interesting features of the crystal structure are the short intermolecular C⋯C [3.204 (3)–3.365 (3) Å] and the C⋯O [3.199 (2)–3.205 (2) Å] contacts which are shorter than the sum of the van der Waals radii of these atoms.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977614

DOI: 10.1107/S1600536809014500
PubMed: 21583800
PubMed Central: 2977614

Affiliations:

Iran, Malaisie

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<author><name sortKey="Yeap, Chin Sing" sort="Yeap, Chin Sing" uniqKey="Yeap C" first="Chin Sing" last="Yeap">Chin Sing Yeap</name>
<affiliation wicri:level="1"><nlm:aff id="a">X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang,<country>Malaysia</country>
</nlm:aff>
<country xml:lang="fr">Malaisie</country>
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<author><name sortKey="Kia, Reza" sort="Kia, Reza" uniqKey="Kia R" first="Reza" last="Kia">Reza Kia</name>
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</nlm:aff>
<country xml:lang="fr">Malaisie</country>
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<author><name sortKey="Fun, Hoong Kun" sort="Fun, Hoong Kun" uniqKey="Fun H" first="Hoong-Kun" last="Fun">Hoong-Kun Fun</name>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">{6,6′-Dimethoxy-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) 1.78-hydrate</title>
<author><name sortKey="Yeap, Chin Sing" sort="Yeap, Chin Sing" uniqKey="Yeap C" first="Chin Sing" last="Yeap">Chin Sing Yeap</name>
<affiliation wicri:level="1"><nlm:aff id="a">X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang,<country>Malaysia</country>
</nlm:aff>
<country xml:lang="fr">Malaisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Kia, Reza" sort="Kia, Reza" uniqKey="Kia R" first="Reza" last="Kia">Reza Kia</name>
<affiliation wicri:level="1"><nlm:aff id="a">X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang,<country>Malaysia</country>
</nlm:aff>
<country xml:lang="fr">Malaisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Kargar, Hadi" sort="Kargar, Hadi" uniqKey="Kargar H" first="Hadi" last="Kargar">Hadi Kargar</name>
<affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, School of Science, Payame Noor University (PNU), Ardakan, Yazd,<country>Iran</country>
</nlm:aff>
<country xml:lang="fr">Iran</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Fun, Hoong Kun" sort="Fun, Hoong Kun" uniqKey="Fun H" first="Hoong-Kun" last="Fun">Hoong-Kun Fun</name>
<affiliation wicri:level="1"><nlm:aff id="a">X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang,<country>Malaysia</country>
</nlm:aff>
<country xml:lang="fr">Malaisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
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<series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title>
<idno type="eISSN">1600-5368</idno>
<imprint><date when="2009">2009</date>
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<front><div type="abstract" xml:lang="en"><p>In the title complex, [Ni(C<sub>21</sub>
H<sub>24</sub>
N<sub>2</sub>
O<sub>4</sub>
)]·1.78H<sub>2</sub>
O, the Ni<sup>II</sup>
 ion has a slightly distorted planar geometry, coordinated by the two N and two O atoms of the tetradentate Schiff base ligand, with a mean deviation of 0.272 Å from the NiN<sub>2</sub>
O<sub>2</sub>
 plane. The N and O donor atoms are mutually <italic>cis</italic>
. The dihedral angle between two benzene rings of the ligand is 38.86 (8)°. There are also three solvent water molecules, two of which lie across different crystallographic twofold rotation axes; one of these is partially occupied with a refined occupancy factor of 0.570 (7). The water molecules are linked together as tetramers in <italic>R</italic>
<sub>2</sub>
<sup>2</sup>
(8) ring motifs, which also connect two neighbouring molecules of the complex through a network of O—H⋯O hydrogen bonds. The crystal structure is further stabilized by intermolecular C—H⋯O and C—H⋯π interactions, which link neighbouring molecules into extended chains along the <italic>b</italic>
 axis. Other interesting features of the crystal structure are the short intermolecular C⋯C [3.204 (3)–3.365 (3) Å] and the C⋯O [3.199 (2)–3.205 (2) Å] contacts which are shorter than the sum of the van der Waals radii of these atoms.</p>
</div>
</front>
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<pmc article-type="research-article"><pmc-dir>properties open_access</pmc-dir>
  <front><journal-meta><journal-id journal-id-type="nlm-ta">Acta Crystallogr Sect E Struct Rep Online</journal-id>
<journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id>
<journal-title-group><journal-title>Acta Crystallographica Section E: Structure Reports Online</journal-title>
</journal-title-group>
<issn pub-type="epub">1600-5368</issn>
<publisher><publisher-name>International Union of Crystallography</publisher-name>
</publisher>
</journal-meta>
<article-meta><article-id pub-id-type="pmid">21583800</article-id>
<article-id pub-id-type="pmc">2977614</article-id>
<article-id pub-id-type="publisher-id">sj2621</article-id>
<article-id pub-id-type="doi">10.1107/S1600536809014500</article-id>
<article-id pub-id-type="coden">ACSEBH</article-id>
<article-id pub-id-type="pii">S1600536809014500</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject>
</subj-group>
</article-categories>
<title-group><article-title>{6,6′-Dimethoxy-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) 1.78-hydrate</article-title>
<alt-title><italic>[Ni(C<sub>21</sub>
H<sub>24</sub>
N<sub>2</sub>
O<sub>4</sub>
)]·1.78H<sub>2</sub>
O</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Yeap</surname>
<given-names>Chin Sing</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Kia</surname>
<given-names>Reza</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
<xref ref-type="author-notes" rid="aunote1">‡</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Kargar</surname>
<given-names>Hadi</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Fun</surname>
<given-names>Hoong-Kun</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<aff id="a"><label>a</label>
X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang,<country>Malaysia</country>
</aff>
<aff id="b"><label>b</label>
Department of Chemistry, School of Science, Payame Noor University (PNU), Ardakan, Yazd,<country>Iran</country>
</aff>
</contrib-group>
<author-notes><corresp id="cor">Correspondence e-mail: <email>hkfun@usm.my</email>
</corresp>
<fn id="aunote1"><label>‡</label>
<p>Additional correspondence author, e-mail: zsrkk@yahoo.com.</p>
</fn>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>5</month>
<year>2009</year>
</pub-date>
<pub-date pub-type="epub"><day>25</day>
<month>4</month>
<year>2009</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>25</day>
<month>4</month>
<year>2009</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the 
 							. </pmc-comment>
      <volume>65</volume>
<issue>Pt 5</issue>
<issue-id pub-id-type="publisher-id">e090500</issue-id>
<fpage>m570</fpage>
<lpage>m571</lpage>
<history><date date-type="received"><day>16</day>
<month>4</month>
<year>2009</year>
</date>
<date date-type="accepted"><day>18</day>
<month>4</month>
<year>2009</year>
</date>
</history>
<permissions><copyright-statement>© Yeap et al. 2009</copyright-statement>
<copyright-year>2009</copyright-year>
<license license-type="open-access" xlink:href="http://creativecommons.org/licenses/by/2.0/uk/"><license-p>This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.</license-p>
</license>
</permissions>
<self-uri xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536809014500">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract><p>In the title complex, [Ni(C<sub>21</sub>
H<sub>24</sub>
N<sub>2</sub>
O<sub>4</sub>
)]·1.78H<sub>2</sub>
O, the Ni<sup>II</sup>
 ion has a slightly distorted planar geometry, coordinated by the two N and two O atoms of the tetradentate Schiff base ligand, with a mean deviation of 0.272 Å from the NiN<sub>2</sub>
O<sub>2</sub>
 plane. The N and O donor atoms are mutually <italic>cis</italic>
. The dihedral angle between two benzene rings of the ligand is 38.86 (8)°. There are also three solvent water molecules, two of which lie across different crystallographic twofold rotation axes; one of these is partially occupied with a refined occupancy factor of 0.570 (7). The water molecules are linked together as tetramers in <italic>R</italic>
<sub>2</sub>
<sup>2</sup>
(8) ring motifs, which also connect two neighbouring molecules of the complex through a network of O—H⋯O hydrogen bonds. The crystal structure is further stabilized by intermolecular C—H⋯O and C—H⋯π interactions, which link neighbouring molecules into extended chains along the <italic>b</italic>
 axis. Other interesting features of the crystal structure are the short intermolecular C⋯C [3.204 (3)–3.365 (3) Å] and the C⋯O [3.199 (2)–3.205 (2) Å] contacts which are shorter than the sum of the van der Waals radii of these atoms.</p>
</abstract>
</article-meta>
</front>
<floats-group><table-wrap id="table1" position="float"><label>Table 1</label>
<caption><title>Hydrogen-bond geometry (Å, °)</title>
</caption>
<table frame="hsides" rules="groups"><thead valign="bottom"><tr><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">H⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H⋯<italic>A</italic>
</th>
</tr>
</thead>
<tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O1<italic>W</italic>
—H1<italic>W</italic>
1⋯O2<italic>W</italic>
<sup>i</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.84</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.08</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.913 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">175</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O2<italic>W</italic>
—H1<italic>W</italic>
2⋯O2</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.54</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.089 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">123</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O2<italic>W</italic>
—H1<italic>W</italic>
2⋯O4</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.10</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.846 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">145</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O2<italic>W</italic>
—H2<italic>W</italic>
2⋯O1</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.22</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.942 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">142</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O2<italic>W</italic>
—H2<italic>W</italic>
2⋯O3</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.16</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.905 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">145</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O3<italic>W</italic>
—H1<italic>W</italic>
3⋯O2<italic>W</italic>
<sup>i</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.89</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.11</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.991 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">169</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C10—H10<italic>B</italic>
⋯O2<sup>ii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.97</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.48</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.251 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">136</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C8—H8<italic>B</italic>
⋯<italic>Cg</italic>
1<sup>iii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.97</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.57</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.370 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">139</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C13—H13<italic>A</italic>
⋯<italic>Cg</italic>
1<sup>ii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.75</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.377 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">125</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-65-0m570-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (ii) <inline-formula><inline-graphic xlink:href="e-65-0m570-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iii) <inline-formula><inline-graphic xlink:href="e-65-0m570-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
. <italic>Cg</italic>
1 is the centroid of the C1–C6 ring.</p>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
<affiliations><list><country><li>Iran</li>
<li>Malaisie</li>
</country>
</list>
<tree><country name="Malaisie"><noRegion><name sortKey="Yeap, Chin Sing" sort="Yeap, Chin Sing" uniqKey="Yeap C" first="Chin Sing" last="Yeap">Chin Sing Yeap</name>
</noRegion>
<name sortKey="Fun, Hoong Kun" sort="Fun, Hoong Kun" uniqKey="Fun H" first="Hoong-Kun" last="Fun">Hoong-Kun Fun</name>
<name sortKey="Kia, Reza" sort="Kia, Reza" uniqKey="Kia R" first="Reza" last="Kia">Reza Kia</name>
</country>
<country name="Iran"><noRegion><name sortKey="Kargar, Hadi" sort="Kargar, Hadi" uniqKey="Kargar H" first="Hadi" last="Kargar">Hadi Kargar</name>
</noRegion>
</country>
</tree>
</affiliations>
</record>

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       | HfdSelect -Kh $EXPLOR_AREA/Data/Pmc/Checkpoint/biblio.hfd   \
       | NlmPubMed2Wicri -a MersV1

This area was generated with Dilib version V0.6.33.
Data generation: Mon Apr 20 23:26:43 2020. Site generation: Sat Mar 27 09:06:09 2021

	Serveur d'exploration MERS
	Attention, ce site est en cours de développement ! Attention, site généré par des moyens informatiques à partir de corpus bruts. Les informations ne sont donc pas validées.

Serveur d'exploration MERS

{6,6′-Dimeth­oxy-2,2′-[2,2-dimethyl­propane-1,3-diylbis(nitrilo­methyl­idyne)]diphenolato}nickel(II) 1.78-hydrate

{6,6′-Dimeth­oxy-2,2′-[2,2-dimethyl­propane-1,3-diylbis(nitrilo­methyl­idyne)]diphenolato}nickel(II) 1.78-hydrate

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{6,6′-Dimethoxy-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) 1.78-hydrate

{6,6′-Dimethoxy-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) 1.78-hydrate